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Home > Pyridines > 1018593-53-7
1018593-53-7 | 2-[5-(piperidin-4-yl)-1,2,4-oxadiazol-3-yl]pyridine
CAS No: 1018593-53-7 Catalog No: AG01A9E0 MDL No:MFCD10034869
Product Description
Catalog Number:
AG01A9E0
Chemical Name:
2-[5-(piperidin-4-yl)-1,2,4-oxadiazol-3-yl]pyridine
CAS Number:
1018593-53-7
Molecular Formula:
C12H14N4O
Molecular Weight:
230.2658
MDL Number:
MFCD10034869
IUPAC Name:
5-piperidin-4-yl-3-pyridin-2-yl-1,2,4-oxadiazole
InChI:
InChI=1S/C12H14N4O/c1-2-6-14-10(3-1)11-15-12(17-16-11)9-4-7-13-8-5-9/h1-3,6,9,13H,4-5,7-8H2
InChI Key:
YXLLZKWXHDUTGM-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)c1onc(n1)c1ccccn1
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.117g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.271g/mol
Monoisotopic Mass:
230.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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